SCHEMBL9751897

SCHEMBL9751897

CCCCN(CCCC)c1ccc2c(c1)-c1cc(C)c(Nc3ccccc3)cc1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 1/20 0.33
CRHR1 P34998 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
RPS6KA2 Q15349 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10428266 0.97 ICMT (0.34) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL7888419 0.88 RPS6KA2 (0.41) ALDH1A1GAAKDM4EHSD17B10CYP1A2
SCHEMBL30572799 0.85 CYP1A2 (0.38) ALDH1A1GAAHSD17B10CYP1A2CYP3A4
SCHEMBL29068510 0.85 CYP1A2 (0.38) ALDH1A1GAAHSD17B10CYP1A2CYP3A4
SCHEMBL30572820 0.83 CYP1A2 (0.39) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL30043223 0.83 CYP1A2 (0.39) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL7868925 0.83 CYP1A2 (0.39) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL1801973 0.82 CYP1A2 (0.34) GAAHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL30572800 0.82 GAA (0.38) ALDH1A1GAAHSD17B10CYP1A2CYP3A4
SCHEMBL9403766 0.82 GAA (0.38) ALDH1A1GAAHSD17B10CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3005190-A None JP disclosed
EP-3027698-A1 INK FOR LASER IMAGING Datalase Limited (GB) 2016-06-08 EP disclosed
US-9206547-B2 Preprocessing liquid for textile printing, ink set for ink jet textile printing, ink jet textile printing method SEIKO EPSON CORPORATION (JP) 2015-12-08 US disclosed
WO-2015015200-A1 INK FOR LASER IMAGING DATALASE LTD. (GB) 2015-02-05 WO disclosed
US-20130278690-A1 PREPROCESSING LIQUID FOR TEXTILE PRINTING, INK SET FOR INK JET TEXTILE PRINTING, INK JET TEXTILE PRINTING METHOD SEIKO EPSON CORPORATION (JP) 2013-10-24 US disclosed
JP-H035190-A THERMAL RECORDING PAPER MITSUBISHI PAPER MILLS LTD 1991-01-10 JP disclosed